2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C15H16Cl2N4OS MolecularWeight: 371.28474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C15H16Cl2N4OS/c16-10-4-5-11(12(17)8-10)14-18-15(20-19-14)23-9-13(22)21-6-2-1-3-7-21/h4-5,8H,1-3,6-7,9H2,(H,18,19,20)